O3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxo-ethyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 3-O-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-[2-(2-methoxyphenyl)ethylamino]ethyl] ester O1-methyl ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1CCNC(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O8/c1-28-17-6-4-3-5-13(17)7-8-21-18(23)12-30-20(25)15-9-14(19(24)29-2)10-16(11-15)22(26)27/h3-6,9-11H,7-8,12H2,1-2H3,(H,21,23)